| General Property |
| Molceule ID (DB) | EGIN0004562 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 2f |
| IUPAC Name | N-{3-[7-({4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}amino)-3-methyl-2-oxo-1H,2H,3H,4H-pyrimido[4,5-d][1,3]diazin-1-yl]phenyl}prop-2-enamide |
| Formula | C30H36N8O3 |
| Mass | 556.6586 |
| Exact Mass | 556.2910371 |
| Composition | C (64.73%), H (6.52%), N (20.13%), O (8.62%) |
| Atom Count | 77 |
| PI | 11.36 |
| Smiles | c1(ccc(c(c1)OC)Nc1ncc2c(n1)N(C(=O)N(C2)C)c1cccc(c1)NC(=O)C=C)N1CC[C@H](CC1)N(C)C |
| InChI | 1S/C30H36N8O3/c1-6-27(39)32-21-8-7-9-24(16-21)38-28-20(19-36(4)30(38)40)18-31-29(34-28)33-25-11-10-2
3(17-26(25)41-5)37-14-12-22(13-15-37)35(2)3/h6-11,16-18,22H,1,12-15,19H2,2-5H3,(H,32,39)(H,31,33,34) |
| InChIKey | QBBSBGDJPPSSKJ-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 22339342 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
57341101
|
| Drug Bank Link | - |
| ChemSpider Link | 28528745 |
| ChEMBL Link | - |
